Permanent URL to this publication: http://dx.doi.org/10.5167/uzh-3173
Hutter, J; Iannuzzi, M (2005). CPMD: Car-Parrinello molecular dynamics. Zeitschrift für Kristallographie, 220(5/6/20):549-551.
- Registered users only
View at publisher
We present the ab initio molecular dynamics code CPMD. This plane wave/pseudopotential based Kohn-Sham density functional code with a rich set of features is successfully applied to calculate static and dynamic properties for a wide range of molecules and materials. Its flexibility and high performance on many computer platforms make it an optimal tool for the study of liquids, surfaces, crystals as well as biomolecules.
3 downloads since deposited on 26 Mar 2009
0 downloads since 12 months
|Item Type:||Journal Article, refereed, original work|
|Communities & Collections:||07 Faculty of Science > Department of Chemistry|
|Dewey Decimal Classification:||540 Chemistry|
|Deposited On:||26 Mar 2009 10:21|
|Last Modified:||05 Jun 2014 13:51|
Users (please log in): suggest update or correction for this item
Repository Staff Only: item control page